Geometry & MOs

Info

ID:	264475
PubChem CID:	103463664
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	286.087291
ΔH_f, kcal/mol:	-56.55
Dipole, Da:	2.36
IP(EA), eV:	-9.29(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2-methoxy-1-phenylethyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)(C)CNC(=O)C(CC1=CC=CC=C1)/C(=N/O)/N

DOS

IR

Vibrations